| CAS Number | 1354950-21-2 |
| Catalog Number | AG019PR6 |
| Chemical Name | 2-Amino-3-(5-bromo-2-methoxyphenyl)propanoic acid hydrochloride |
| IUPAC Name | 2-amino-3-(5-bromo-2-methoxyphenyl)propanoic acid;hydrochloride |
| InChI | InChI=1S/C10H12BrNO3.ClH/c1-15-9-3-2-7(11)4-6(9)5-8(12)10(13)14;/h2-4,8H,5,12H2,1H3,(H,13,14);1H |
| InChI Key | IKEWKIXUQLUDMO-UHFFFAOYSA-N |
| MDL Number | MFCD20233665 |
| Molecular Formula | C10H13BrClNO3 |
| Molecular Weight | 310.5721 |
| SMILES | O=C(O)C(N)CC1=CC(Br)=CC=C1OC.[H]Cl |
| Synonyms | 2-amino-3-(5-bromo-2-methoxyphenyl)propanoic acid hydrochloride,
1354950-21-2,
AKOS008122319,
MCULE-5754302625,
NE52970,
EN300-86103,
Z1262237273,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 308.977g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 310.572g/mol |
| Monoisotopic Mass | 308.977g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number